기본 정보
- CAS
30293-82-4- 표준 SMILES
COC(=O)[C@H](C)N=C=O- InChIKey
ZYILYULSVKLHKZ-BYPYZUCNSA-N- 분자식
- C5H7NO3
- 평균 분자량
- 129.11 g/mol
- 단동위원소 질량
- 129.04259309
이름 및 식별자
- 우선 이름
- methyl (2S)-2-isocyanatopropanoate
- IUPAC
- methyl (2S)-2-isocyanatopropanoate
- 현지명
- (S)-(-)-2-이소시아나토프로피온산메틸에스테르
- 영어명
- (S)-(-)-2-Isocyanatopropionic acid methyl ester
- 분자식
- C5H7NO3
- 분자량
- 129.11
이름 및 동의어
methyl (2S)-2-isocyanatopropanoateRefChem:812172678-552-230293-82-4Methyl (S)-(-)-2-Isocyanatopropionate(S)-(-)-2-Isocyanatopropionic Acid Methyl EsterMFCD00191530Propanoic acid, 2-isocyanato-, methyl ester, (2S)-I0465(S)-(-)-2-ISOCYANATOPROPIONICACIDMETHYLESTERPropanoic acid, 2-isocyanato-, methyl ester, (S)-SCHEMBL2588666
이름 더 보기
(S)-(-)-2-이소시아나토프로피온산메틸에스테르Methyl(S)-(-)-2-Isocyanatopropionate>Methyl (S)-(-)-2-Isocyanatopropionate(2S)-2-isocyanatopropionic acid methyl ester(2S)-2-isocyanatopropanoic acid methyl esterPropanoic acid, 2-isocyanato-, methyl ester, (2S)- (9CI)
DTXSID10427082methyl N-(oxomethylidene)alaninateMethyl (S)-2-IsocyanatopropanoateAKOS006237427AKOS015853888Methyl N-(oxomethylidene)-L-alaninatemethyl(S)-(-)-2-isocyanatopropionateBS-22257
데이터베이스 식별자
- CAS
30293-82-4- PubChem CID
- 7019162
- DTXSID
DTXSID10427082- EC Number
- 678-552-2
- Nikkaji
- J880.884H
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 55.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 148
물리화학적 성질
- 끓는 점
- 61 °C · 61 °C / 15mmHg
- 밀도
- 1 · 1,12 g/cm3
- 굴절률
- -22.5 ° · -22.5 ° (C=neat)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H227 (50%): Combustible liquid [Warning Flammable liquids]；H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 4 (50%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 3 (100%)；STOT SE 3 (50%)
안전 데이터
- ridadr
- UN 2206 6.1/PG III
- HS 번호
- 2929100090
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- 포장분류
- III
- 위험 등급
화학 및 산업
공급사20 곳
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
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